3-[(4-ethoxyphenyl)-(phenylcarbonyl)amino]propyl-dimethyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 3-[(4-ethoxyphenyl)-(phenylcarbonyl)amino]propyl-dimethyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 3-(N-benzoyl-4-ethoxy-anilino)propyl-dimethyl-ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 3-(N-benzoyl-4-ethoxyanilino)propyl-dimethylammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 3-(N-benzoyl-4-ethoxyanilino)propyl-dimethylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 3-(N-benzoyl-4-ethoxy-anilino)propyl-dimethyl-ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C24H30N2O6 MolecularWeight: 442.5048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCC[NH+](C)C)C(=O)C2=CC=CC=C2.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCC[NH+](C)C)C(=O)C2=CC=CC=C2.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C20H26N2O2.C4H4O4/c1-4-24-19-13-11-18(12-14-19)22(16-8-15-21(2)3)20(23)17-9-6-5-7-10-17;5-3(6)1-2-4(7)8/h5-7,9-14H,4,8,15-16H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-